Topologically Guided Tuning of Zr-MOF Pore Structures for Highly Selective Separation of C6 Alkane Isomers
dc.contributor.ORCID | 0000-0002-6435-0347 (Chabal, YJ) | |
dc.contributor.author | Wang, Hao | |
dc.contributor.author | Dong, Xinglong | |
dc.contributor.author | Lin, Junzhong | |
dc.contributor.author | Teat, Simon J. | |
dc.contributor.author | Jensen, Stephanie | |
dc.contributor.author | Cure, Jeremy | |
dc.contributor.author | Alexandrov, Eugeny V. | |
dc.contributor.author | Xia, Qibin | |
dc.contributor.author | Tan, Kui | |
dc.contributor.author | Wang, Qining | |
dc.contributor.author | Olson, David H. | |
dc.contributor.author | Proserpio, Davide M. | |
dc.contributor.author | Chabal, Yves J. | |
dc.contributor.author | Thonhauser, Timo | |
dc.contributor.author | Sun, Junliang | |
dc.contributor.author | Han, Yu | |
dc.contributor.author | Li, Jing | |
dc.contributor.utdAuthor | Cure, Jeremy | |
dc.contributor.utdAuthor | Tan, Kui | |
dc.contributor.utdAuthor | Chabal, Yves J. | |
dc.date.accessioned | 2019-05-15T21:00:24Z | |
dc.date.available | 2019-05-15T21:00:24Z | |
dc.date.created | 2018-05-01 | |
dc.description | Includes supplementary material | |
dc.description.abstract | As an alternative technology to energy intensive distillations, adsorptive separation by porous solids offers lower energy cost and higher efficiency. Herein we report a topology-directed design and synthesis of a series of Zr-based metal-organic frameworks with optimized pore structure for efficient separation of C6 alkane isomers, a critical step in the petroleum refining process to produce gasoline with high octane rating. Zr₆O₄(OH)₄(bptc)₃ adsorbs a large amount of n-hexane but excluding branched isomers. The n-hexane uptake is similar to 70% higher than that of a benchmark adsorbent, zeolite-5A. A derivative structure, Zr₆O₄(OH)₈(-H₂O)₄(abtc)₂, is capable of discriminating all three C6 isomers and yielding a high separation factor for 3-methylpentane over 2,3-dimethylbutane. This property is critical for producing gasoline with further improved quality. Multicomponent breakthrough experiments provide a quantitative measure of the capability of these materials for separation of C6 alkane isomers. A detailed structural analysis reveals the unique topology, connectivity and relationship of these compounds. | |
dc.description.department | Erik Jonsson School of Engineering and Computer Science | |
dc.description.sponsorship | U.S. Department of Energy through Grant no. DE-FG02-08ER-46491; U.S. Department of Energy under Contract No. DE-AC02-05CH11231; Simons Foundation through Grant no. 391888; Russian Government (Grant 14.B25.31.0005); Russian Science Foundation (Grant no. 16-13-10158). | |
dc.identifier.bibliographicCitation | Wang, Hao, Xinglong Dong, Junzhong Lin, Simon J. Teat, et al. 2018. "Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers." Nature Communications 9: Art. 1745, doi:10.1038/s41467-018-04152-5 | |
dc.identifier.issn | 2041-1723 | |
dc.identifier.uri | https://hdl.handle.net/10735.1/6484 | |
dc.identifier.volume | 9 | |
dc.language.iso | en | |
dc.publisher | Nature Publishing Group | |
dc.relation.uri | http://dx.doi.org/10.1038/s41467-018-04152-5 | |
dc.rights | CC BY 4.0 (Attribution) | |
dc.rights | ©2018 | |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
dc.source.journal | Nature Communications | |
dc.subject | Carbon dioxide | |
dc.subject | Crystals--Structure | |
dc.subject | Porous materials | |
dc.subject | Hexane | |
dc.subject | Adsorption | |
dc.subject | Chemical engineering | |
dc.title | Topologically Guided Tuning of Zr-MOF Pore Structures for Highly Selective Separation of C6 Alkane Isomers | |
dc.type.genre | article |